| SpectraBase Spectrum ID |
DnVn1DpASOU |
| Name |
Trans-N-2-(1-hydroxy-2-methylpropyl)-3,3,6,6-tetramethyl-1-azacycloheptane-4,5-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.214743795 u |
| Formula |
C14H29NO3 |
| InChI |
InChI=1S/C14H29NO3/c1-8(2)9(16)10-14(5,6)12(18)11(17)13(3,4)7-15-10/h8-12,15-18H,7H2,1-6H3/t9?,10?,11-,12-/m1/s1 |
| InChIKey |
KEEYYCLTKGXHGI-KIDURHIOSA-N |
| Molecular Weight |
259.390 g/mol |
| SMILES |
C1(C(NCC([C@@]([C@]1(O)[H])(O)[H])(C)C)C(C(C)C)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824972 |
